SCHEMBL5570743

SCHEMBL5570743

Cc1ccc(S(=O)(=O)c2ccccc2NCC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.50
POLB P06746 1/20 0.48
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
ACE P12821 1/20 0.45
CTSL P07711 1/20 0.44
MBTPS1 Q14703 1/20 0.44
P2RX7 Q99572 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5574104 0.93 PLAU (0.46) TACR1POLBPLAUPLATCTSL
SCHEMBL5572760 0.89 ALDH1A1 (0.48) POLBACEMEN1KMT2AL3MBTL1
SCHEMBL5573170 0.76 TACR1 (0.54) TACR1POLBACECTSLMBTPS1
SCHEMBL7365183 0.75 TACR1 (0.60) TACR1POLBACECTSLMBTPS1
SCHEMBL699183 0.75 HTR6 (0.50) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL20335058 0.74 CTSL (0.68) TACR1POLBCTSLGAAMAPT
SCHEMBL20335059 0.74 CTSL (0.68) TACR1POLBCTSLGAAMAPT
SCHEMBL5572756 0.74 CTSL (0.58) TACR1POLBCTSLGAATDP1
SCHEMBL5568656 0.73 HTR6 (0.44) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL16355883 0.73 CTSS (0.58) TACR1POLBACECTSLP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US claimed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 TACR1 1171/4885POLB 3968/4885PLAU 1688/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.